2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C15H20N4O4S2 — CID 42894866

IUPAC2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H20N4O4S2/c1-5-12(15(20)17-13-8-10(2)23-18-13)24-14-7-6-11(9-16-14)25(21,22)19(3)4/h6-9,12H,5H2,1-4H3,(H,17,18,20)
InChIKeyKUJBIPGSNAVLAT-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.14
Rot. Bonds7

About 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 42894866) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID42894866
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C15H20N4O4S2/c1-5-12(15(20)17-13-8-10(2)23-18-13)24-14-7-6-11(9-16-14)25(21,22)19(3)4/h6-9,12H,5H2,1-4H3,(H,17,18,20)
InChIKeyKUJBIPGSNAVLAT-UHFFFAOYSA-N
XLogP2.14
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 42894866) is 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Sc1ccc(S(=O)(=O)N(C)C)cn1)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is KUJBIPGSNAVLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-5-12(15(20)17-13-8-10(2)23-18-13)24-14-7-6-11(9-16-14)25(21,22)19(3)4/h6-9,12H,5H2,1-4H3,(H,17,18,20).
What are the key properties of 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 384.48 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 42894866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).